ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(phenylmethyl)piperidin-1-yl]methyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-benzyl-1-piperidyl)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[4-(phenylmethyl)-1-piperidinyl]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4-benzylpiperidin-1-yl)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[(4-benzylpiperidino)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN2CCC(CC2)CC3=CC=CC=C3)C(=O)NC)N

InChI

InChI=1S/C22H29N3O3S/c1-3-28-22(27)18-17(19(21(26)24-2)29-20(18)23)14-25-11-9-16(10-12-25)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14,23H2,1-2H3,(H,24,26)